#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwl s PRO 2 N 0.00 3.59 0.00 1.61 0.04 -1.26 -2.61 135.00 136.37 2kwl s PRO 2 Ca 0.00 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2kwl s PRO 2 Cb 0.00 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.44 2kwl s PRO 2 CO 0.00 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 175.90 2kwl n GLY 3 N 5.02 1.13 3.11 0.56 0.00 -1.26 -5.09 105.19 108.65 2kwl n GLY 3 Ca 0.20 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 2kwl n GLY 3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kwl s SER 4 N -2.24 0.98 -1.01 1.61 0.15 -1.07 -5.07 113.70 107.04 2kwl s SER 4 Ca 0.00 -0.75 -0.23 0.00 0.70 0.00 0.00 55.95 55.66 2kwl s SER 4 Cb 0.00 0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.34 2kwl s SER 4 CO 0.00 -0.32 1.85 -0.04 1.20 0.00 0.00 173.24 175.93 2kwl s MET 5 N -2.58 2.81 0.17 5.44 -1.94 -1.26 -4.79 119.30 117.15 2kwl s MET 5 Ca -0.00 -0.75 0.10 0.00 -1.71 0.00 0.00 55.69 53.33 2kwl s MET 5 Cb -0.03 -5.19 -0.04 0.00 2.01 0.00 0.00 34.83 31.58 2kwl s MET 5 CO -0.02 -3.25 -0.21 -0.51 -0.01 0.00 0.00 175.02 171.02 2kwl s ASP 6 N 6.92 3.00 0.27 3.03 1.11 -1.26 -5.01 116.67 124.73 2kwl s ASP 6 Ca 0.65 -0.86 -0.02 0.00 0.18 0.00 0.00 52.55 52.50 2kwl s ASP 6 Cb -0.03 -0.20 0.44 0.00 1.07 0.00 0.00 42.92 44.19 2kwl s ASP 6 CO 0.02 0.04 1.86 0.78 1.18 0.00 0.00 175.17 179.04 2kwl h ASN 7 N 3.27 0.96 0.27 0.27 2.35 -1.91 0.31 115.58 121.09 2kwl h ASN 7 Ca -0.44 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 2kwl h ASN 7 Cb 1.21 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.40 2kwl h ASN 7 CO 0.49 0.58 0.00 0.47 -1.65 0.00 0.00 177.43 177.32 2kwl n ASP 8 N -4.56 0.00 -0.04 5.81 8.00 -1.26 -2.96 116.55 121.53 2kwl n ASP 8 Ca 0.16 -0.47 0.01 0.00 0.71 0.00 0.00 54.79 55.20 2kwl n ASP 8 Cb 0.24 -0.15 -0.13 0.00 -0.02 0.00 0.00 41.12 41.05 2kwl n ASP 8 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kwl n GLU 9 N -1.15 0.89 0.15 -1.24 4.71 0.90 -3.84 120.64 121.06 2kwl n GLU 9 Ca 0.17 -0.09 -0.13 0.00 -0.01 0.00 0.00 57.16 57.10 2kwl n GLU 9 Cb 0.16 -1.42 -0.08 0.00 -1.01 0.00 0.00 31.44 29.09 2kwl n GLU 9 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 2kwl h ILE 10 N 0.00 0.63 0.00 -3.67 2.04 -0.93 0.23 117.51 115.80 2kwl h ILE 10 Ca -0.21 -0.68 -0.07 0.00 1.00 0.00 0.00 64.86 64.91 2kwl h ILE 10 Cb 1.37 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 2kwl h ILE 10 CO 0.01 0.12 -0.33 2.19 0.00 0.00 0.00 178.15 180.14 2kwl h PHE 11 N -0.84 0.00 0.04 1.37 -0.00 -1.81 -1.47 116.94 114.24 2kwl h PHE 11 Ca -0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.97 57.80 2kwl h PHE 11 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.48 2kwl h PHE 11 CO 0.03 0.33 -0.52 0.77 -0.00 0.00 0.00 178.31 178.93 2kwl h SER 12 N 0.00 0.39 0.07 -0.68 0.02 -1.66 -2.39 113.55 109.30 2kwl h SER 12 Ca -0.00 -0.84 -0.00 0.00 -0.84 0.00 0.00 61.79 60.10 2kwl h SER 12 Cb 0.81 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2kwl h SER 12 CO 0.04 1.19 -0.03 0.50 -1.14 0.00 0.00 176.83 177.38 2kwl h LYS 13 N -0.36 -0.09 -0.26 3.45 3.64 -0.52 0.18 116.57 122.60 2kwl h LYS 13 Ca -0.08 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2kwl h LYS 13 Cb 1.30 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.12 2kwl h LYS 13 CO 0.10 0.27 0.09 0.28 -2.27 0.00 0.00 179.45 177.93 2kwl h VAL 14 N -0.48 0.94 -0.27 2.00 2.07 -1.41 -2.36 116.25 116.74 2kwl h VAL 14 Ca -0.01 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 2kwl h VAL 14 Cb 0.41 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2kwl h VAL 14 CO 0.02 0.04 -0.28 -0.09 0.02 0.00 0.00 177.57 177.27 2kwl h ARG 15 N 0.22 0.54 -0.21 1.57 9.65 -1.46 -2.67 114.38 122.03 2kwl h ARG 15 Ca 0.12 -0.22 0.06 0.00 -1.10 0.00 0.00 59.98 58.83 2kwl h ARG 15 Cb 0.08 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 2kwl h ARG 15 CO -0.12 0.77 0.28 1.03 2.80 0.00 0.00 179.97 184.73 2kwl h SER 16 N 0.47 0.00 0.21 -3.80 0.87 -0.08 0.42 113.55 111.64 2kwl h SER 16 Ca 0.06 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2kwl h SER 16 Cb 0.73 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2kwl h SER 16 CO 0.06 0.00 -0.10 0.40 -0.53 0.00 0.00 176.83 176.66 2kwl h ILE 17 N 0.00 0.82 0.00 2.23 2.04 -1.30 -3.28 117.51 118.02 2kwl h ILE 17 Ca 0.10 -0.90 -0.15 0.00 1.00 0.00 0.00 64.86 64.91 2kwl h ILE 17 Cb 0.66 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 2kwl h ILE 17 CO -0.00 0.18 -0.69 0.16 0.00 0.00 0.00 178.15 177.80 2kwl h ILE 18 N -0.78 1.41 -0.97 -0.67 3.07 -1.46 -3.17 117.51 114.94 2kwl h ILE 18 Ca -0.03 -2.44 0.28 0.00 1.55 0.00 0.00 64.86 64.22 2kwl h ILE 18 Cb 0.51 2.35 -0.04 0.00 -0.27 0.00 0.00 36.82 39.37 2kwl h ILE 18 CO 0.05 0.68 0.78 0.77 -1.05 0.00 0.00 178.15 179.37 2kwl h SER 19 N 0.00 0.00 0.41 2.16 4.64 -0.25 0.52 113.55 121.03 2kwl h SER 19 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2kwl h SER 19 Cb 1.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 2kwl h SER 19 CO 0.09 0.00 -0.37 -0.08 -0.87 0.00 0.00 176.83 175.60 2kwl h GLU 20 N 0.00 -0.76 0.07 4.77 4.57 -1.64 0.59 114.58 122.19 2kwl h GLU 20 Ca 0.46 0.05 -0.24 0.00 -1.18 0.00 0.00 59.36 58.45 2kwl h GLU 20 Cb 2.01 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 30.76 2kwl h GLU 20 CO -0.00 -0.51 -1.24 1.96 -1.18 0.00 0.00 179.01 178.04 2kwl h GLN 21 N -0.79 0.15 -0.15 1.92 1.08 -1.39 -3.35 115.11 112.59 2kwl h GLN 21 Ca -0.03 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 56.90 2kwl h GLN 21 Cb 0.70 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 2kwl h GLN 21 CO -0.04 1.12 0.04 -0.07 -0.95 0.00 0.00 178.83 178.93 2kwl h LEU 22 N -0.55 0.18 2.35 1.46 4.07 -0.12 -3.45 115.31 119.24 2kwl h LEU 22 Ca -0.29 -0.01 -0.27 0.00 0.08 0.00 0.00 57.88 57.39 2kwl h LEU 22 Cb 1.56 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 43.23 2kwl h LEU 22 CO -0.02 0.18 -0.33 0.47 -1.08 0.00 0.00 178.44 177.67 2kwl n ASP 23 N -4.46 -4.06 -4.92 -0.43 8.00 0.21 -4.94 116.55 105.95 2kwl n ASP 23 Ca -0.01 0.20 -0.24 0.00 0.71 0.00 0.00 54.79 55.45 2kwl n ASP 23 Cb 0.12 -3.50 0.06 0.00 -0.02 0.00 0.00 41.12 37.79 2kwl n ASP 23 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kwl s LYS 24 N -4.70 2.25 -0.18 -1.24 -0.14 -1.26 -5.06 119.74 109.41 2kwl s LYS 24 Ca 0.00 -0.44 -0.08 0.00 -1.36 0.00 0.00 55.97 54.09 2kwl s LYS 24 Cb 0.00 -2.26 -0.04 0.00 -1.68 0.00 0.00 37.83 33.85 2kwl s LYS 24 CO 0.00 -1.12 0.07 0.15 -0.76 0.00 0.00 175.35 173.69 2kwl s LYS 25 N -5.12 4.00 0.47 1.68 3.01 -1.26 -4.87 119.74 117.66 2kwl s LYS 25 Ca 0.60 -0.32 0.32 0.00 -1.01 0.00 0.00 55.97 55.56 2kwl s LYS 25 Cb -0.10 -3.24 1.51 0.00 -1.01 0.00 0.00 37.83 34.99 2kwl s LYS 25 CO 0.43 0.29 1.96 1.05 0.51 0.00 0.00 175.35 179.59 2kwl h GLU 26 N 6.66 0.00 -0.41 1.68 -0.00 -1.97 -1.29 114.58 119.25 2kwl h GLU 26 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.98 2kwl h GLU 26 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.91 2kwl h GLU 26 CO 0.71 0.00 0.00 -3.47 -0.00 0.00 0.00 179.01 176.25 2kwl n ASP 27 N -2.74 1.97 -0.15 3.06 2.03 -1.26 -3.88 116.55 115.58 2kwl n ASP 27 Ca -0.00 -2.07 0.10 0.00 0.52 0.00 0.00 54.79 53.34 2kwl n ASP 27 Cb 0.18 -0.28 0.54 0.00 -0.72 0.00 0.00 41.12 40.84 2kwl n ASP 27 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2kwl n GLU 28 N 0.41 1.19 -1.44 -0.67 0.28 -0.49 -4.87 120.64 115.06 2kwl n GLU 28 Ca 0.11 -0.29 -0.51 0.00 -0.16 0.00 0.00 57.16 56.31 2kwl n GLU 28 Cb 0.34 -1.34 -0.07 0.00 1.43 0.00 0.00 31.44 31.80 2kwl n GLU 28 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2kwl n ILE 29 N -0.51 0.18 -3.57 3.84 2.08 -1.25 -4.83 119.36 115.29 2kwl n ILE 29 Ca 0.15 -0.25 -0.07 0.00 0.56 0.00 0.00 62.75 63.14 2kwl n ILE 29 Cb 0.14 -1.61 -0.02 0.00 -0.75 0.00 0.00 39.64 37.41 2kwl n ILE 29 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2kwl s THR 30 N 7.27 0.00 -1.05 1.39 -1.32 -1.26 -4.98 115.64 115.69 2kwl s THR 30 Ca 1.10 -0.21 0.29 0.00 -1.21 0.00 0.00 61.69 61.66 2kwl s THR 30 Cb -0.88 -1.30 0.26 0.00 -1.51 0.00 0.00 72.50 69.07 2kwl s THR 30 CO 0.50 0.00 1.92 1.07 -2.21 0.00 0.00 174.62 175.90 2kwl n THR 31 N -0.33 0.00 -0.90 5.08 5.66 -1.26 -3.17 114.28 119.36 2kwl n THR 31 Ca -0.09 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 2kwl n THR 31 Cb 0.62 -0.47 0.34 0.00 -1.55 0.00 0.00 70.33 69.27 2kwl n THR 31 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2kwl n ASP 32 N -1.47 5.18 0.01 1.09 5.68 -1.26 -4.42 116.55 121.35 2kwl n ASP 32 Ca 0.08 -3.04 -0.03 0.00 -0.50 0.00 0.00 54.79 51.30 2kwl n ASP 32 Cb 0.33 -0.71 -0.01 0.00 -1.14 0.00 0.00 41.12 39.59 2kwl n ASP 32 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2kwl n SER 33 N 0.23 0.94 -1.10 -1.12 7.64 -1.19 -4.98 113.62 114.04 2kwl n SER 33 Ca 0.34 0.13 0.10 0.00 1.01 0.00 0.00 58.87 60.45 2kwl n SER 33 Cb 1.27 -0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 64.13 2kwl n SER 33 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kwl n ARG 34 N -3.50 -1.51 0.21 1.43 1.74 -1.26 -1.49 116.66 112.28 2kwl n ARG 34 Ca -0.04 1.00 0.04 0.00 -0.77 0.00 0.00 57.85 58.08 2kwl n ARG 34 Cb 0.24 -1.84 0.44 0.00 -1.02 0.00 0.00 32.46 30.28 2kwl n ARG 34 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 2kwl h PHE 35 N -0.69 0.00 -0.09 -1.55 0.04 -1.90 0.23 116.94 112.97 2kwl h PHE 35 Ca 0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 2kwl h PHE 35 Cb 0.68 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.83 2kwl h PHE 35 CO 0.00 0.28 0.06 -0.39 -0.60 0.00 0.00 178.31 177.65 2kwl h VAL 36 N 0.00 1.06 0.00 -0.55 -1.51 -1.67 0.28 116.25 113.86 2kwl h VAL 36 Ca -0.00 -0.17 -0.03 0.00 -1.23 0.00 0.00 66.70 65.27 2kwl h VAL 36 Cb 0.51 1.01 -0.00 0.00 -2.13 0.00 0.00 31.29 30.67 2kwl h VAL 36 CO 0.04 0.06 -0.32 -0.33 -1.23 0.00 0.00 177.57 175.79 2kwl h GLU 37 N 0.08 0.00 0.25 5.19 4.39 -1.10 -3.40 114.58 120.00 2kwl h GLU 37 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2kwl h GLU 37 Cb 0.04 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2kwl h GLU 37 CO -0.01 0.31 -0.23 0.22 -1.16 0.00 0.00 179.01 178.14 2kwl h ASP 38 N -1.00 -0.62 -1.82 1.42 1.82 -0.65 -3.44 116.42 112.14 2kwl h ASP 38 Ca -0.05 0.05 -0.45 0.00 -0.39 0.00 0.00 57.03 56.19 2kwl h ASP 38 Cb 0.50 0.21 0.05 0.00 0.68 0.00 0.00 39.33 40.76 2kwl h ASP 38 CO -0.03 -0.34 -0.06 -0.76 -1.61 0.00 0.00 179.24 176.44 2kwl s LEU 39 N -10.21 3.23 -0.63 2.28 1.43 0.97 -5.02 118.68 110.74 2kwl s LEU 39 Ca -0.16 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 2kwl s LEU 39 Cb 0.06 -2.32 0.41 0.00 0.03 0.00 0.00 46.19 44.37 2kwl s LEU 39 CO 0.64 -1.30 1.70 -3.20 0.23 0.00 0.00 176.35 174.42 2kwl n ASN 40 N -2.35 6.56 -2.65 2.29 4.05 -1.25 -4.30 115.26 117.62 2kwl n ASN 40 Ca 0.12 -3.79 -0.03 0.00 0.45 0.00 0.00 54.58 51.33 2kwl n ASN 40 Cb 0.60 -0.80 0.02 0.00 1.23 0.00 0.00 39.78 40.83 2kwl n ASN 40 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kwl n ALA 41 N -0.65 -1.88 -2.38 5.20 0.00 -1.25 -5.10 120.51 114.45 2kwl n ALA 41 Ca 0.52 -0.82 -0.21 0.00 0.00 0.00 0.00 53.44 52.93 2kwl n ALA 41 Cb 0.55 0.51 -0.04 0.00 0.00 0.00 0.00 19.45 20.47 2kwl n ALA 41 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2kwl s ASP 42 N -2.78 5.10 0.62 0.00 1.47 -1.26 -3.38 116.67 116.44 2kwl s ASP 42 Ca 0.16 -0.65 0.29 0.00 1.18 0.00 0.00 52.55 53.53 2kwl s ASP 42 Cb -0.02 -0.76 1.53 0.00 -0.34 0.00 0.00 42.92 43.33 2kwl s ASP 42 CO 0.05 -0.49 1.91 0.77 0.68 0.00 0.00 175.17 178.10 2kwl h SER 43 N 1.18 0.00 -0.40 2.11 4.64 -1.97 -1.64 113.55 117.47 2kwl h SER 43 Ca -0.43 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.97 2kwl h SER 43 Cb 1.26 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.27 2kwl h SER 43 CO 0.59 0.00 -0.14 -0.07 -0.87 0.00 0.00 176.83 176.34 2kwl h LEU 44 N 0.00 -0.50 -0.00 5.97 3.38 -2.01 0.23 115.31 122.38 2kwl h LEU 44 Ca 0.13 0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.15 2kwl h LEU 44 Cb 0.95 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2kwl h LEU 44 CO -0.00 -0.18 -0.41 0.44 0.09 0.00 0.00 178.44 178.38 2kwl h ASP 45 N -0.05 0.00 0.67 -0.43 5.19 -1.70 -3.21 116.42 116.88 2kwl h ASP 45 Ca 0.20 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.52 2kwl h ASP 45 Cb 0.36 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 2kwl h ASP 45 CO -0.45 0.41 -0.39 0.40 -3.12 0.00 0.00 179.24 176.09 2kwl h ILE 46 N 0.00 1.02 -0.81 0.35 1.08 -0.95 -3.14 117.51 115.06 2kwl h ILE 46 Ca -0.00 -1.49 0.17 0.00 -0.39 0.00 0.00 64.86 63.15 2kwl h ILE 46 Cb 1.31 1.87 -0.11 0.00 -3.07 0.00 0.00 36.82 36.82 2kwl h ILE 46 CO 0.05 0.38 0.31 0.22 -0.69 0.00 0.00 178.15 178.42 2kwl h TYR 47 N 0.00 0.51 -0.18 1.37 5.03 -0.61 0.19 116.97 123.27 2kwl h TYR 47 Ca -0.00 0.04 -0.20 0.00 2.58 0.00 0.00 58.73 61.15 2kwl h TYR 47 Cb 0.83 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 39.02 2kwl h TYR 47 CO 0.00 -0.01 -0.68 0.93 -1.32 0.00 0.00 178.16 177.08 2kwl h GLU 48 N 0.39 0.71 0.33 1.82 5.08 -1.76 -1.56 114.58 119.60 2kwl h GLU 48 Ca 0.47 -0.53 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2kwl h GLU 48 Cb 0.80 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 2kwl h GLU 48 CO -0.48 1.15 -0.49 1.25 -1.00 0.00 0.00 179.01 179.44 2kwl h LEU 49 N 0.51 -1.39 -0.36 1.33 5.85 -1.04 0.13 115.31 120.35 2kwl h LEU 49 Ca -0.02 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 2kwl h LEU 49 Cb 1.28 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 2kwl h LEU 49 CO 0.14 -0.59 0.05 0.17 -0.34 0.00 0.00 178.44 177.87 2kwl h LEU 50 N -0.86 0.57 -0.51 2.25 8.10 -1.40 -1.77 115.31 121.70 2kwl h LEU 50 Ca -0.04 -0.27 0.10 0.00 0.11 0.00 0.00 57.88 57.79 2kwl h LEU 50 Cb 0.78 -0.15 -0.09 0.00 -0.44 0.00 0.00 40.66 40.76 2kwl h LEU 50 CO -0.14 0.69 -0.08 0.22 -4.11 0.00 0.00 178.44 175.02 2kwl h TYR 51 N 0.43 -0.17 0.00 0.17 3.20 -1.09 0.12 116.97 119.62 2kwl h TYR 51 Ca 0.11 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 2kwl h TYR 51 Cb 0.37 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2kwl h TYR 51 CO 0.03 -0.18 -0.42 -0.07 -1.64 0.00 0.00 178.16 175.88 2kwl h LEU 52 N 0.04 0.00 -1.28 2.82 4.07 -0.66 -2.77 115.31 117.54 2kwl h LEU 52 Ca 0.25 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.13 2kwl h LEU 52 Cb 0.38 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 2kwl h LEU 52 CO -0.48 0.42 -0.36 -0.07 -1.08 0.00 0.00 178.44 176.87 2kwl h LEU 53 N 0.00 0.00 -0.41 1.67 4.07 0.09 -3.04 115.31 117.69 2kwl h LEU 53 Ca -0.00 0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.04 2kwl h LEU 53 Cb 0.81 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.46 2kwl h LEU 53 CO 0.05 0.36 -0.17 -0.33 -1.08 0.00 0.00 178.44 177.27 2kwl h GLU 54 N 0.00 -0.09 -0.22 1.13 5.08 -0.85 -0.73 114.58 118.91 2kwl h GLU 54 Ca -0.00 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 2kwl h GLU 54 Cb 0.65 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2kwl h GLU 54 CO 0.05 -0.06 -0.40 1.49 -1.00 0.00 0.00 179.01 179.09 2kwl h GLU 55 N -0.09 0.51 -0.00 2.33 4.81 -1.70 0.33 114.58 120.77 2kwl h GLU 55 Ca 0.20 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2kwl h GLU 55 Cb 0.40 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2kwl h GLU 55 CO -0.47 0.82 0.00 0.00 -0.73 0.00 0.00 179.01 178.64 2kwl h ALA 56 N 1.15 1.06 0.00 2.92 0.00 -1.06 -1.66 119.26 121.66 2kwl h ALA 56 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kwl h ALA 56 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2kwl h ALA 56 CO 0.08 -0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.51 2kwl n PHE 57 N -3.15 0.00 -3.71 0.00 3.72 -0.67 -5.02 117.46 108.62 2kwl n PHE 57 Ca -0.03 -0.18 -0.26 0.00 -0.05 0.00 0.00 57.45 56.93 2kwl n PHE 57 Cb 0.08 -0.02 0.03 0.00 -0.94 0.00 0.00 39.48 38.62 2kwl n PHE 57 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2kwl n ASP 58 N -0.18 -2.95 -3.61 4.37 8.00 0.92 -4.98 116.55 118.11 2kwl n ASP 58 Ca 0.00 -0.93 -0.12 0.00 0.71 0.00 0.00 54.79 54.45 2kwl n ASP 58 Cb 0.16 -3.67 -0.07 0.00 -0.02 0.00 0.00 41.12 37.53 2kwl n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kwl s ASP 59 N -3.96 -0.55 0.37 -2.24 -1.08 0.26 -5.01 116.67 104.46 2kwl s ASP 59 Ca 0.22 0.94 -0.27 0.00 -0.52 0.00 0.00 52.55 52.92 2kwl s ASP 59 Cb -0.07 0.91 -0.09 0.00 -1.46 0.00 0.00 42.92 42.21 2kwl s ASP 59 CO 0.84 -0.27 1.22 -0.54 0.52 0.00 0.00 175.17 176.94 2kwl s LYS 60 N -0.14 4.19 -0.07 4.34 1.02 -1.26 -4.30 119.74 123.51 2kwl s LYS 60 Ca -0.01 1.99 -0.14 0.00 0.02 0.00 0.00 55.97 57.84 2kwl s LYS 60 Cb -0.04 -2.86 -0.10 0.00 -0.52 0.00 0.00 37.83 34.31 2kwl s LYS 60 CO -0.01 -0.25 0.52 0.82 -0.92 0.00 0.00 175.35 175.52 2kwl h ILE 61 N 2.64 0.50 0.00 2.17 1.08 -1.93 0.26 117.51 122.23 2kwl h ILE 61 Ca -0.49 -1.12 0.00 0.00 -0.39 0.00 0.00 64.86 62.86 2kwl h ILE 61 Cb 1.23 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 35.87 2kwl h ILE 61 CO 0.64 0.15 0.00 -0.81 -0.69 0.00 0.00 178.15 177.44 2kwl n PRO 62 N -4.89 0.26 -0.00 2.37 -0.04 -1.26 0.10 135.00 131.54 2kwl n PRO 62 Ca -0.05 0.12 -0.03 0.00 -0.04 0.00 0.00 63.50 63.49 2kwl n PRO 62 Cb 0.20 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.15 2kwl n PRO 62 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kwl n GLU 63 N -1.23 0.19 0.03 0.54 -0.58 -1.24 -4.43 120.64 113.92 2kwl n GLU 63 Ca 0.08 0.08 -0.02 0.00 -0.42 0.00 0.00 57.16 56.87 2kwl n GLU 63 Cb 0.11 -0.81 -0.01 0.00 -0.57 0.00 0.00 31.44 30.15 2kwl n GLU 63 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 2kwl h ASN 64 N -0.36 -0.14 -0.03 1.62 -1.24 -0.58 -3.31 115.58 111.54 2kwl h ASN 64 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.02 2kwl h ASN 64 Cb 0.36 0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.45 2kwl h ASN 64 CO 0.00 0.22 0.04 -0.33 -1.29 0.00 0.00 177.43 176.07 2kwl h GLU 65 N -0.79 0.00 0.00 6.67 3.07 -0.89 0.38 114.58 123.02 2kwl h GLU 65 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2kwl h GLU 65 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 2kwl h GLU 65 CO 0.03 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.64 2kwl n ALA 66 N -2.26 1.46 0.16 3.43 0.00 0.11 -2.11 120.51 121.31 2kwl n ALA 66 Ca -0.02 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2kwl n ALA 66 Cb 0.13 -1.24 0.66 0.00 0.00 0.00 0.00 19.45 19.00 2kwl n ALA 66 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2kwl h ASN 67 N 0.00 0.00 -0.08 0.00 7.08 -1.02 -3.29 115.58 118.28 2kwl h ASN 67 Ca 0.00 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 53.02 2kwl h ASN 67 Cb 0.20 0.00 -0.18 0.00 -2.08 0.00 0.00 38.32 36.26 2kwl h ASN 67 CO 0.00 0.00 -0.41 -0.62 -2.08 0.00 0.00 177.43 174.32 2kwl n GLU 68 N -4.46 1.34 -3.60 4.14 -0.58 -1.06 -5.13 120.64 111.29 2kwl n GLU 68 Ca 0.02 -1.68 -0.34 0.00 -0.42 0.00 0.00 57.16 54.74 2kwl n GLU 68 Cb 0.28 0.04 -0.05 0.00 -0.57 0.00 0.00 31.44 31.14 2kwl n GLU 68 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2kwl s PHE 69 N -0.34 3.54 0.47 -0.32 5.36 -0.90 -4.88 117.98 120.92 2kwl s PHE 69 Ca 0.15 0.72 0.00 0.00 -0.96 0.00 0.00 56.93 56.84 2kwl s PHE 69 Cb 0.42 -2.11 0.00 0.00 -0.34 0.00 0.00 43.02 40.99 2kwl s PHE 69 CO -0.10 0.49 0.00 -1.91 -1.46 0.00 0.00 175.22 172.23 2kwl n GLU 70 N 0.64 0.00 -3.65 10.12 4.07 -1.26 -4.99 120.64 125.57 2kwl n GLU 70 Ca -0.06 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.90 2kwl n GLU 70 Cb 0.52 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.85 2kwl n GLU 70 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2kwl n THR 71 N -3.45 0.00 -0.33 6.31 -2.24 -1.26 -5.03 114.28 108.27 2kwl n THR 71 Ca 0.00 -1.74 0.13 0.00 -2.27 0.00 0.00 64.05 60.17 2kwl n THR 71 Cb 0.00 0.92 0.32 0.00 -2.10 0.00 0.00 70.33 69.47 2kwl n THR 71 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2kwl h VAL 72 N 1.82 0.63 -1.02 2.28 2.07 -1.85 0.16 116.25 120.35 2kwl h VAL 72 Ca -0.19 -0.22 0.25 0.00 0.82 0.00 0.00 66.70 67.35 2kwl h VAL 72 Cb 0.93 -0.06 -0.11 0.00 -1.52 0.00 0.00 31.29 30.52 2kwl h VAL 72 CO 0.27 0.12 0.62 1.23 0.02 0.00 0.00 177.57 179.83 2kwl h GLY 73 N 0.64 1.67 0.79 2.17 0.00 -1.94 0.16 103.07 106.56 2kwl h GLY 73 Ca 0.57 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 2kwl h GLY 73 CO -0.42 -0.19 -0.08 -0.55 0.00 0.00 0.00 176.54 175.30 2kwl h ASP 74 N 0.54 0.39 -0.77 0.19 5.19 -1.30 -2.90 116.42 117.77 2kwl h ASP 74 Ca 0.62 -0.40 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 2kwl h ASP 74 Cb 1.27 -0.11 -0.04 0.00 0.18 0.00 0.00 39.33 40.64 2kwl h ASP 74 CO -0.41 0.70 0.50 0.58 -3.12 0.00 0.00 179.24 177.50 2kwl h VAL 75 N 0.07 1.20 0.61 -1.35 2.07 -0.98 0.31 116.25 118.18 2kwl h VAL 75 Ca 0.04 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 2kwl h VAL 75 Cb 0.55 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2kwl h VAL 75 CO 0.02 0.20 -0.33 0.58 0.02 0.00 0.00 177.57 178.07 2kwl h VAL 76 N 1.05 0.33 0.00 2.57 2.07 -0.97 -0.80 116.25 120.50 2kwl h VAL 76 Ca 0.28 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.77 2kwl h VAL 76 Cb -0.10 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 2kwl h VAL 76 CO -0.06 0.00 -0.17 -0.55 0.02 0.00 0.00 177.57 176.82 2kwl h ASN 77 N -0.87 0.00 0.58 0.57 7.08 -1.34 -2.51 115.58 119.08 2kwl h ASN 77 Ca -0.08 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.11 2kwl h ASN 77 Cb 0.68 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.93 2kwl h ASN 77 CO 0.11 0.17 -0.28 -0.26 -2.08 0.00 0.00 177.43 175.09 2kwl h PHE 78 N 0.00 -0.72 0.00 4.14 -1.00 -0.02 -2.35 116.94 117.00 2kwl h PHE 78 Ca -0.00 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 2kwl h PHE 78 Cb 0.68 0.24 -0.00 0.00 3.61 0.00 0.00 35.95 40.48 2kwl h PHE 78 CO 0.00 -0.45 -0.04 0.82 -1.61 0.00 0.00 178.31 177.04 2kwl h ILE 79 N -1.11 0.20 0.12 -0.55 2.04 -1.20 0.79 117.51 117.80 2kwl h ILE 79 Ca -0.08 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 2kwl h ILE 79 Cb 0.59 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2kwl h ILE 79 CO 0.13 0.04 -0.06 0.11 0.00 0.00 0.00 178.15 178.37 2kwl h LYS 80 N 0.00 -0.16 0.00 2.37 1.57 -1.40 -2.16 116.57 116.79 2kwl h LYS 80 Ca -0.00 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 2kwl h LYS 80 Cb 0.25 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2kwl h LYS 80 CO 0.00 0.24 -0.38 1.57 -0.57 0.00 0.00 179.45 180.32 2kwl h LYS 81 N -0.61 0.00 -0.43 3.15 2.10 -1.20 0.19 116.57 119.77 2kwl h LYS 81 Ca -0.02 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.49 2kwl h LYS 81 Cb 0.47 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 2kwl h LYS 81 CO 0.03 0.38 -0.29 0.00 -2.00 0.00 0.00 179.45 177.57 2kwl h ARG 82 N 0.00 0.95 0.00 0.07 3.08 -0.86 -3.35 114.38 114.27 2kwl h ARG 82 Ca -0.00 -0.44 -0.37 0.00 0.07 0.00 0.00 59.98 59.24 2kwl h ARG 82 Cb 1.24 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.22 2kwl h ARG 82 CO 0.05 1.10 -2.03 1.17 -1.07 0.00 0.00 179.97 179.20 2kwl n LYS 83 N -4.09 0.59 0.00 0.04 4.81 -0.82 -5.06 118.16 113.63 2kwl n LYS 83 Ca -0.01 0.39 0.15 0.00 -0.87 0.00 0.00 58.31 57.96 2kwl n LYS 83 Cb 0.49 -1.60 0.66 0.00 0.02 0.00 0.00 35.03 34.60 2kwl n LYS 83 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98